SIMILAR PATTERNS OF AMINO ACIDS FOR 4KIC_A_SAMA401_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1abr ABRIN-A

(Abrus
precatorius) 		PF00652
(Ricin_B_lectin) 		5 GLY B 135
GLY B 101
ARG B 137
ALA B 114
ARG B 133
 None
 1.23A 4kicA-1abrB:
undetectable		 4kicA-1abrB:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cqd PROTEIN (PROTEASE
II)

(Zingiber
officinale) 		PF00112
(Peptidase_C1) 		5 GLY A  64
GLY A  25
ARG A  66
ALA A  29
ASP A  57
 None
THJ  A 800 (-3.1A)
None
None
None
 1.09A 4kicA-1cqdA:
undetectable		 4kicA-1cqdA:
19.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dul SIGNAL RECOGNITION
PARTICLE PROTEIN
(FIFTY-FOUR HOMOLOG)

(Escherichia
coli) 		PF02978
(SRP_SPB) 		5 GLY A  59
ILE A  31
ALA A  30
ALA A  55
ASP A  64
 U  B 151 ( 3.3A)
None
G  B 150 ( 3.1A)
None
None
 1.21A 4kicA-1dulA:
undetectable		 4kicA-1dulA:
14.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e4o MALTODEXTRIN
PHOSPHORYLASE

(Escherichia
coli) 		PF00343
(Phosphorylase) 		5 GLY A 111
GLY A 116
ILE A  70
ALA A 120
ASP A 107
 None
GLC  A 997 (-4.8A)
None
None
None
 1.20A 4kicA-1e4oA:
undetectable		 4kicA-1e4oA:
19.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hx5 10 KDA CHAPERONIN

(Mycobacterium
tuberculosis) 		PF00166
(Cpn10) 		5 GLY A  46
GLY A  48
ILE A  12
ALA A  90
ALA A  44
 None
 0.92A 4kicA-1hx5A:
undetectable		 4kicA-1hx5A:
13.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i78 PROTEASE VII

(Escherichia
coli) 		PF01278
(Omptin) 		5 GLY A  54
GLY A  70
ILE A  56
ALA A  68
ALA A  14
 None
 1.03A 4kicA-1i78A:
undetectable		 4kicA-1i78A:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j3n 3-OXOACYL-(ACYL-CARR
IER PROTEIN)
SYNTHASE II

(Thermus
thermophilus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A  99
GLY A 152
ILE A 144
ALA A 145
ALA A 185
 None
 1.24A 4kicA-1j3nA:
undetectable		 4kicA-1j3nA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jsd HAEMAGGLUTININ (HA2
CHAIN)

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 GLY B   4
ILE B   6
ALA B   7
ALA B 113
ASP B 109
 None
 1.23A 4kicA-1jsdB:
undetectable		 4kicA-1jsdB:
17.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lnz SPO0B-ASSOCIATED
GTP-BINDING PROTEIN

(Bacillus
subtilis) 		PF01018
(GTP1_OBG)
PF01926
(MMR_HSR1) 		5 GLY A  41
GLY A 119
ARG A 121
ILE A  67
ALA A  66
 None
 1.00A 4kicA-1lnzA:
undetectable		 4kicA-1lnzA:
23.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n76 LACTOFERRIN

(Homo sapiens) 		PF00405
(Transferrin) 		5 GLY A 124
GLY A 118
ILE A 209
ALA A 195
ALA A  94
 CO3  A 695 (-4.0A)
None
None
None
None
 1.15A 4kicA-1n76A:
undetectable		 4kicA-1n76A:
19.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1oy1 PUTATIVE SIGMA
CROSS-REACTING
PROTEIN 27A

(Escherichia
coli) 		no annotation 5 GLY A  13
GLY A  15
ARG A  64
ALA A  25
ALA A  43
 None
 1.09A 4kicA-1oy1A:
3.6		 4kicA-1oy1A:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ri3 MRNA CAPPING ENZYME

(Encephalitozoon
cuniculi) 		PF03291
(Pox_MCEL) 		5 GLY A  72
GLY A  74
ILE A  95
ALA A  96
PHE A 141
 SAH  A 299 (-3.3A)
SAH  A 299 (-3.5A)
SAH  A 299 (-3.8A)
SAH  A 299 ( 3.8A)
None
 1.22A 4kicA-1ri3A:
15.3		 4kicA-1ri3A:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1typ TRYPANOTHIONE
REDUCTASE

(Crithidia
fasciculata) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  13
GLY A  49
ALA A  46
ALA A 159
ASP A 327
 FAD  A 493 (-3.2A)
None
FAD  A 493 (-3.2A)
FAD  A 493 (-4.7A)
FAD  A 493 (-2.8A)
 1.13A 4kicA-1typA:
3.4		 4kicA-1typA:
22.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1un9 DIHYDROXYACETONE
KINASE

(Citrobacter
freundii) 		PF02733
(Dak1)
PF02734
(Dak2) 		5 GLY A 302
ILE A 219
ALA A 297
ALA A 153
ASP A 140
 None
 1.20A 4kicA-1un9A:
undetectable		 4kicA-1un9A:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1upi DTDP-4-DEHYDRORHAMNO
SE 3,5-EPIMERASE

(Mycobacterium
tuberculosis) 		PF00908
(dTDP_sugar_isom) 		5 GLY A  60
GLY A 120
ARG A  59
ILE A 146
ALA A 174
 None
None
None
CME  A 147 ( 3.9A)
CME  A 147 ( 3.5A)
 1.18A 4kicA-1upiA:
undetectable		 4kicA-1upiA:
25.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vfd LACTOFERRIN

(Homo sapiens) 		PF00405
(Transferrin) 		5 GLY A 124
GLY A 118
ILE A 209
ALA A 195
ALA A  94
 CO3  A 401 (-4.5A)
None
None
None
None
 1.18A 4kicA-1vfdA:
undetectable		 4kicA-1vfdA:
24.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vqz LIPOATE-PROTEIN
LIGASE, PUTATIVE

(Streptococcus
pneumoniae) 		PF03099
(BPL_LplA_LipB)
PF10437
(Lip_prot_lig_C) 		5 GLY A  71
GLY A  44
ILE A  69
ALA A 137
ASP A 284
 None
None
None
None
EDO  A 417 (-3.0A)
 1.16A 4kicA-1vqzA:
undetectable		 4kicA-1vqzA:
23.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w85 PYRUVATE
DEHYDROGENASE E1
COMPONENT, ALPHA
SUBUNIT

(Geobacillus
stearothermophilus) 		PF00676
(E1_dh) 		5 GLY A 257
ILE A 196
ALA A 248
ALA A 167
PHE A 191
 None
None
None
None
PEG  A1369 (-4.8A)
 1.05A 4kicA-1w85A:
2.1		 4kicA-1w85A:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f1k PREPHENATE
DEHYDROGENASE

(Synechocystis
sp. PCC 6803) 		PF02153
(PDH) 		5 GLY A  12
GLY A   7
ILE A 122
ALA A 125
PHE A  62
 None
NAP  A1350 (-3.5A)
None
None
None
 1.18A 4kicA-2f1kA:
5.9		 4kicA-2f1kA:
23.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g9i F420-0:GAMMA-GLUTAMY
L LIGASE

(Archaeoglobus
fulgidus) 		PF01996
(F420_ligase) 		5 GLY A 169
GLY A 225
ILE A 167
ALA A 172
ALA A 129
 None
 1.22A 4kicA-2g9iA:
undetectable		 4kicA-2g9iA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ge7 NUCLEOCAPSID PROTEIN

(Avian
coronavirus) 		PF00937
(Corona_nucleoca) 		5 GLY A  36
GLY A 108
ILE A 101
MET A  40
ASP A  47
 None
 0.92A 4kicA-2ge7A:
undetectable		 4kicA-2ge7A:
15.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gjn HYPOTHETICAL PROTEIN
PA1024

(Pseudomonas
aeruginosa) 		PF03060
(NMO) 		6 GLY A 180
GLY A 146
ARG A 240
ILE A 198
ALA A 177
ALA A 182
 FMN  A1904 (-3.7A)
None
None
None
None
None
 1.41A 4kicA-2gjnA:
undetectable		 4kicA-2gjnA:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hr7 INSULIN RECEPTOR

(Homo sapiens) 		PF00757
(Furin-like)
PF01030
(Recep_L_domain) 		5 GLY A 463
ARG A 409
ALA A 458
ALA A 402
ASP A 404
 None
None
GOL  A 597 (-3.6A)
None
None
 1.13A 4kicA-2hr7A:
undetectable		 4kicA-2hr7A:
19.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ibu ACETYL-COA
ACETYLTRANSFERASE

(Homo sapiens) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 GLY A 152
GLY A 388
ALA A  64
ALA A  71
MET A  91
 None
 1.19A 4kicA-2ibuA:
undetectable		 4kicA-2ibuA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ivp O-SIALOGLYCOPROTEIN
ENDOPEPTIDASE

(Pyrococcus
abyssi) 		PF00814
(Peptidase_M22) 		5 GLY A   5
GLY A 287
ILE A  17
ALA A  25
PHE A  74
 None
 1.11A 4kicA-2ivpA:
undetectable		 4kicA-2ivpA:
23.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ixc DTDP-4-DEHYDRORHAMNO
SE 3,5-EPIMERASE
RMLC

(Mycobacterium
tuberculosis) 		PF00908
(dTDP_sugar_isom) 		5 GLY A  60
GLY A 120
ARG A  59
ILE A 146
ALA A 174
 TRH  A1199 ( 4.3A)
TRH  A1199 ( 3.9A)
TRH  A1199 (-4.0A)
None
None
 1.15A 4kicA-2ixcA:
undetectable		 4kicA-2ixcA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jgd 2-OXOGLUTARATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli) 		PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF16870
(OxoGdeHyase_C) 		5 GLY A 142
ALA A 145
ALA A 159
PHE A 139
MET A 151
 None
 1.24A 4kicA-2jgdA:
2.4		 4kicA-2jgdA:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2lhs CBP21

(Serratia
marcescens) 		PF03067
(LPMO_10) 		5 GLY A  37
GLY A  42
ALA A  51
ALA A 157
ASP A 152
 None
 1.21A 4kicA-2lhsA:
undetectable		 4kicA-2lhsA:
17.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2op6 HEAT SHOCK 70 KDA
PROTEIN D

(Caenorhabditis
elegans) 		PF00012
(HSP70) 		5 GLY A 495
ALA A 492
ALA A 462
PHE A 453
ASP A 517
 None
 1.03A 4kicA-2op6A:
undetectable		 4kicA-2op6A:
18.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ps2 PUTATIVE MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Aspergillus
oryzae) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 337
ILE A 303
ALA A 335
ALA A 307
ASP A 114
 None
 1.09A 4kicA-2ps2A:
undetectable		 4kicA-2ps2A:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pvs PANCREATIC
LIPASE-RELATED
PROTEIN 2

(Homo sapiens) 		PF00151
(Lipase)
PF01477
(PLAT) 		5 GLY A 150
GLY A 154
ILE A 172
ALA A 159
PHE A 267
 None
None
None
CA  A 502 ( 4.7A)
None
 1.11A 4kicA-2pvsA:
undetectable		 4kicA-2pvsA:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q74 INOSITOL-1-MONOPHOSP
HATASE

(Mycobacterium
tuberculosis) 		PF00459
(Inositol_P) 		5 CYH A 216
GLY A 134
ILE A 123
ALA A  19
ALA A 125
 None
 1.14A 4kicA-2q74A:
undetectable		 4kicA-2q74A:
23.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qe6 UNCHARACTERIZED
PROTEIN TFU_2867

(Thermobifida
fusca) 		PF04672
(Methyltransf_19) 		5 GLY A  84
GLY A  86
ILE A 111
ARG A 137
MET A 165
 SAM  A 400 (-3.4A)
SAM  A 400 ( 3.2A)
SAM  A 400 (-3.7A)
SAM  A 400 (-4.6A)
SAM  A 400 (-3.3A)
 0.66A 4kicA-2qe6A:
15.0		 4kicA-2qe6A:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qvb HALOALKANE
DEHALOGENASE 3

(Mycobacterium
tuberculosis) 		PF00561
(Abhydrolase_1) 		5 GLY A 271
GLY A 247
ILE A 179
ALA A 178
ARG A 181
 None
None
None
EDO  A   1 ( 3.7A)
None
 1.12A 4kicA-2qvbA:
undetectable		 4kicA-2qvbA:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wba TRYPANOTHIONE
REDUCTASE

(Trypanosoma
brucei) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  13
GLY A  49
ALA A  46
ALA A 159
ASP A 327
 FAD  A1491 (-3.3A)
None
FAD  A1491 (-3.6A)
FAD  A1491 (-4.7A)
FAD  A1491 (-2.9A)
 1.14A 4kicA-2wbaA:
3.9		 4kicA-2wbaA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x50 TRYPANOTHIONE
REDUCTASE

(Leishmania
infantum) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  13
GLY A  49
ALA A  46
ALA A 159
ASP A 327
 FAD  A1487 (-3.1A)
None
FAD  A1487 (-3.5A)
FAD  A1487 (-4.4A)
FAD  A1487 (-2.6A)
 1.16A 4kicA-2x50A:
3.3		 4kicA-2x50A:
23.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ys6 PHOSPHORIBOSYLGLYCIN
AMIDE SYNTHETASE

(Geobacillus
kaustophilus) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 GLY A 266
ILE A  99
ALA A  97
ALA A 253
MET A 196
 None
 1.21A 4kicA-2ys6A:
3.6		 4kicA-2ys6A:
26.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yut PUTATIVE SHORT-CHAIN
OXIDOREDUCTASE

(Thermus
thermophilus) 		PF00106
(adh_short) 		5 GLY A  11
GLY A 170
ARG A  31
ALA A 168
ALA A  15
 NAP  A 500 (-3.8A)
NAP  A 500 ( 4.4A)
NAP  A 500 (-4.8A)
None
None
 1.21A 4kicA-2yutA:
5.8		 4kicA-2yutA:
23.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z6i TRANS-2-ENOYL-ACP
REDUCTASE II

(Streptococcus
pneumoniae) 		PF03060
(NMO) 		5 GLY A 170
GLY A 138
ARG A 230
ALA A 167
ALA A 172
 FMN  A 401 (-3.6A)
None
None
None
None
 1.16A 4kicA-2z6iA:
undetectable		 4kicA-2z6iA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a9c TRANSLATION
INITIATION FACTOR
EIF-2B, DELTA
SUBUNIT

(Thermococcus
kodakarensis) 		PF01008
(IF-2B) 		5 GLY A 119
GLY A 116
ILE A 123
ALA A 145
MET A 231
 None
 1.13A 4kicA-3a9cA:
4.3		 4kicA-3a9cA:
23.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b05 ISOPENTENYL-DIPHOSPH
ATE DELTA-ISOMERASE

(Sulfolobus
shibatae) 		PF01070
(FMN_dh) 		5 GLY A 279
ILE A 276
ALA A 293
ARG A 277
PHE A 319
 None
None
None
FNR  A 669 (-2.8A)
None
 1.18A 4kicA-3b05A:
undetectable		 4kicA-3b05A:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ccf CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE

(Trichormus
variabilis) 		PF08241
(Methyltransf_11) 		5 GLY A  46
GLY A  48
ALA A  69
ALA A  90
MET A 107
 None
 0.66A 4kicA-3ccfA:
16.5		 4kicA-3ccfA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cgh SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF12741
(SusD-like) 		5 GLY A 151
ARG A 471
ILE A 517
ALA A 516
ALA A 524
 None
 1.11A 4kicA-3cghA:
undetectable		 4kicA-3cghA:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cwc PUTATIVE GLYCERATE
KINASE 2

(Salmonella
enterica) 		PF02595
(Gly_kinase) 		5 GLY A 134
GLY A  45
ALA A 191
ALA A 250
MET A  90
 None
 1.12A 4kicA-3cwcA:
undetectable		 4kicA-3cwcA:
23.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3da2 CARBONIC ANHYDRASE
13

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 GLY A  64
GLY A 172
ALA A 234
ARG A   9
PHE A  67
 None
 1.22A 4kicA-3da2A:
undetectable		 4kicA-3da2A:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ehk PRUNIN

(Prunus dulcis) 		PF00190
(Cupin_1) 		5 GLY A 179
ARG A 367
ILE A  72
ALA A 202
ALA A 183
 None
 1.18A 4kicA-3ehkA:
undetectable		 4kicA-3ehkA:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eu8 PUTATIVE
GLUCOAMYLASE

(Bacteroides
fragilis) 		PF10091
(Glycoamylase)
PF11329
(DUF3131) 		5 GLY A  89
GLY A 162
ILE A 116
ALA A  65
PHE A 158
 None
None
EDO  A 474 (-4.9A)
EDO  A 474 (-3.6A)
None
 1.11A 4kicA-3eu8A:
undetectable		 4kicA-3eu8A:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g0t PUTATIVE
AMINOTRANSFERASE

(Porphyromonas
gingivalis) 		PF00155
(Aminotran_1_2) 		5 GLY A 134
ILE A 216
ALA A 124
ALA A 210
ASP A 214
 EDO  A 443 (-3.7A)
None
None
None
None
 1.23A 4kicA-3g0tA:
3.5		 4kicA-3g0tA:
23.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gr8 NADPH DEHYDROGENASE

(Geobacillus
kaustophilus) 		PF00724
(Oxidored_FMN) 		5 GLY A 251
ILE A 216
ALA A 218
ALA A 165
ASP A 247
 None
 1.19A 4kicA-3gr8A:
undetectable		 4kicA-3gr8A:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hxt 5-FORMYLTETRAHYDROFO
LATE CYCLO-LIGASE

(Homo sapiens) 		PF01812
(5-FTHF_cyc-lig) 		5 GLY A 138
GLY A 136
ARG A  14
ALA A 172
ASP A 140
 None
 1.03A 4kicA-3hxtA:
3.6		 4kicA-3hxtA:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hxt 5-FORMYLTETRAHYDROFO
LATE CYCLO-LIGASE

(Homo sapiens) 		PF01812
(5-FTHF_cyc-lig) 		5 GLY A 138
GLY A 136
ARG A  14
ILE A 179
ASP A 140
 None
 1.18A 4kicA-3hxtA:
3.6		 4kicA-3hxtA:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ic9 DIHYDROLIPOAMIDE
DEHYDROGENASE

(Colwellia
psychrerythraea) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  36
ARG A  45
ILE A  11
ALA A 116
ALA A 140
 FAD  A 490 (-4.0A)
None
FAD  A 490 (-4.8A)
FAD  A 490 (-4.1A)
None
 1.15A 4kicA-3ic9A:
2.7		 4kicA-3ic9A:
23.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ita D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC

(Escherichia
coli) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		5 ILE A  17
ALA A 162
ALA A  15
PHE A 155
ASP A  33
 None
 0.98A 4kicA-3itaA:
undetectable		 4kicA-3itaA:
25.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j15 PROTEIN PELOTA

(Pyrococcus
furiosus) 		PF03463
(eRF1_1)
PF03464
(eRF1_2)
PF03465
(eRF1_3) 		5 GLY A 206
GLY A 208
ILE A 231
ARG A 248
ASP A 233
 None
 1.07A 4kicA-3j15A:
undetectable		 4kicA-3j15A:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k30 HISTAMINE
DEHYDROGENASE

(Pimelobacter
simplex) 		PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2) 		5 GLY A 400
GLY A 427
ARG A 449
ALA A 483
ASP A 649
 ADP  A 803 (-3.2A)
None
None
None
ADP  A 803 (-3.2A)
 1.13A 4kicA-3k30A:
3.5		 4kicA-3k30A:
20.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l3b ES1 FAMILY PROTEIN

(Ehrlichia
chaffeensis) 		PF01965
(DJ-1_PfpI) 		5 GLY A  11
GLY A  13
ARG A  62
ALA A  23
ALA A  41
 None
 1.11A 4kicA-3l3bA:
2.9		 4kicA-3l3bA:
24.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n0t DIPEPTIDYL PEPTIDASE
2

(Homo sapiens) 		PF05577
(Peptidase_S28) 		5 GLY A  69
GLY A  99
ILE A  71
ALA A 151
ARG A 146
 None
 1.13A 4kicA-3n0tA:
undetectable		 4kicA-3n0tA:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ojl CAP5O

(Staphylococcus
aureus) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		5 GLY A   7
GLY A   9
ILE A  31
ALA A 100
ARG A  99
 NAD  A 500 (-3.0A)
NAD  A 500 (-3.0A)
NAD  A 500 (-3.8A)
NAD  A 500 ( 4.1A)
None
 1.19A 4kicA-3ojlA:
5.0		 4kicA-3ojlA:
24.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qtg PYRUVATE KINASE

(Pyrobaculum
aerophilum) 		PF00224
(PK)
PF02887
(PK_C) 		5 GLY A  83
ARG A  87
ILE A 202
ALA A 205
ASP A  80
 None
 1.14A 4kicA-3qtgA:
undetectable		 4kicA-3qtgA:
21.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qyf CRISPR-ASSOCIATED
PROTEIN

(Sulfolobus
solfataricus) 		PF09651
(Cas_APE2256) 		5 GLY A   9
GLY A 166
ALA A  71
ALA A 105
ASP A  35
 None
 1.22A 4kicA-3qyfA:
3.2		 4kicA-3qyfA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sgz HYDROXYACID OXIDASE
2

(Rattus
norvegicus) 		PF01070
(FMN_dh) 		5 GLY A 279
GLY A 248
ILE A 259
ALA A 257
ASP A 286
 FMN  A 401 (-3.4A)
FMN  A 401 (-3.3A)
None
None
None
 1.11A 4kicA-3sgzA:
undetectable		 4kicA-3sgzA:
22.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3slg PBGP3 PROTEIN

(Burkholderia
pseudomallei) 		PF01370
(Epimerase) 		5 GLY A 182
GLY A 184
ALA A 335
ALA A 328
ASP A 228
 None
 0.96A 4kicA-3slgA:
5.2		 4kicA-3slgA:
23.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sr6 XANTHINE
DEHYDROGENASE/OXIDAS
E

(Bos taurus) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 GLY C1267
GLY C1202
ALA C1198
ALA C1158
PHE C1271
 None
 1.13A 4kicA-3sr6C:
undetectable		 4kicA-3sr6C:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tl3 SHORT-CHAIN TYPE
DEHYDROGENASE/REDUCT
ASE

(Mycobacterium
ulcerans) 		PF00106
(adh_short) 		5 GLY A 113
ARG A 119
ILE A 109
ALA A  83
ASP A  56
 None
 1.23A 4kicA-3tl3A:
6.1		 4kicA-3tl3A:
24.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tsc PUTATIVE
OXIDOREDUCTASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 GLY A 131
ILE A 127
ALA A 105
PHE A  81
ASP A  77
 None
NAD  A 274 (-3.8A)
NAD  A 274 (-3.5A)
None
NAD  A 274 (-3.4A)
 1.13A 4kicA-3tscA:
6.0		 4kicA-3tscA:
24.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u44 ATP-DEPENDENT
HELICASE/NUCLEASE
SUBUNIT A

(Bacillus
subtilis) 		PF00580
(UvrD-helicase)
PF12705
(PDDEXK_1)
PF13361
(UvrD_C) 		5 GLY A 138
GLY A 142
ALA A 359
ALA A 133
ASP A 370
 None
 1.11A 4kicA-3u44A:
2.1		 4kicA-3u44A:
15.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vgl GLUCOKINASE

(Streptomyces
griseus) 		PF00480
(ROK) 		5 GLY A  61
GLY A  63
ILE A   5
ALA A  16
ALA A  59
 None
 1.22A 4kicA-3vglA:
undetectable		 4kicA-3vglA:
24.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vnw CYTOCHROME C-552

(Thermus
thermophilus) 		PF00034
(Cytochrom_C) 		5 GLY A  19
GLY A  21
ILE A  87
ALA A  90
ASP A  93
 None
None
HEM  A 200 ( 4.7A)
None
None
 1.11A 4kicA-3vnwA:
undetectable		 4kicA-3vnwA:
16.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wx7 CHITIN
OLIGOSACCHARIDE
DEACETYLASE

(Vibrio
parahaemolyticus) 		PF01522
(Polysacc_deac_1) 		5 GLY A 303
GLY A 298
ARG A 300
PHE A 293
ASP A  44
 None
 1.21A 4kicA-3wx7A:
undetectable		 4kicA-3wx7A:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c2k 3-KETOACYL-COA
THIOLASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 GLY A 118
GLY A  57
ALA A  70
ALA A  36
PHE A  96
 None
 1.03A 4kicA-4c2kA:
undetectable		 4kicA-4c2kA:
25.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cit VANADIUM-DEPENDENT
HALOPEROXIDASE

(Zobellia
galactanivorans) 		PF01569
(PAP2) 		5 GLY A 424
ILE A 421
ALA A 407
ALA A 419
ARG A 418
 None
 1.13A 4kicA-4citA:
undetectable		 4kicA-4citA:
24.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 169
GLY A 174
ILE A 192
ALA A 191
ALA A 241
 NAD  A 401 (-3.4A)
None
None
None
NAD  A 401 ( 3.7A)
 1.12A 4kicA-4gkvA:
4.8		 4kicA-4gkvA:
24.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jhz BETA-GLUCURONIDASE

(Escherichia
coli) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		5 GLY A 245
GLY A 247
ILE A 346
ALA A 341
ASP A 319
 None
 1.20A 4kicA-4jhzA:
undetectable		 4kicA-4jhzA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jos ADENOSYLHOMOCYSTEINE
NUCLEOSIDASE

(Francisella
philomiragia) 		PF01048
(PNP_UDP_1) 		5 GLY A   8
GLY A  76
ILE A  17
ALA A 218
MET A  10
 None
 1.07A 4kicA-4josA:
undetectable		 4kicA-4josA:
23.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kpo NUCLEOSIDE
N-RIBOHYDROLASE 3

(Zea mays) 		PF01156
(IU_nuc_hydro) 		5 GLY A  85
GLY A  82
ALA A  77
ALA A  43
ASP A  13
 None
None
None
None
CA  A 401 (-2.2A)
 1.08A 4kicA-4kpoA:
3.9		 4kicA-4kpoA:
25.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m73 METHYLTRANSFERASE
MPPJ

(Streptomyces
hygroscopicus) 		PF13649
(Methyltransf_25) 		6 CYH A 136
GLY A 166
ALA A 194
PHE A 239
MET A 240
MET A 241
 M72  A 402 (-2.8A)
SAH  A 401 (-3.4A)
SAH  A 401 ( 3.8A)
None
SAH  A 401 ( 4.3A)
SAH  A 401 ( 3.9A)
 1.41A 4kicA-4m73A:
46.3		 4kicA-4m73A:
93.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m73 METHYLTRANSFERASE
MPPJ

(Streptomyces
hygroscopicus) 		PF13649
(Methyltransf_25) 		11 CYH A 136
GLY A 166
GLY A 168
ARG A 172
ILE A 190
ALA A 191
ALA A 218
ARG A 219
PHE A 239
MET A 240
MET A 241
 M72  A 402 (-2.8A)
SAH  A 401 (-3.4A)
SAH  A 401 (-3.5A)
SAH  A 401 (-3.8A)
SAH  A 401 (-3.8A)
SAH  A 401 (-3.5A)
SAH  A 401 (-3.5A)
SAH  A 401 (-4.5A)
None
SAH  A 401 ( 4.3A)
SAH  A 401 ( 3.9A)
 0.64A 4kicA-4m73A:
46.3		 4kicA-4m73A:
93.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o0e ISOASPARTYL
PEPTIDASE/L-ASPARAGI
NASE

(Homo sapiens) 		PF01112
(Asparaginase_2) 		5 GLY A 207
ARG A 232
ILE A  81
ALA A 183
ASP A  83
 None
 1.17A 4kicA-4o0eA:
undetectable		 4kicA-4o0eA:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4s1w GLUTAMINE--FRUCTOSE-
6-PHOSPHATE
AMINOTRANSFERASE
[ISOMERIZING]

(Staphylococcus
aureus) 		PF01380
(SIS) 		5 GLY A 479
ILE A 489
ALA A 491
ALA A 581
ARG A 584
 None
 1.21A 4kicA-4s1wA:
3.5		 4kicA-4s1wA:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ayd BETA-1,4-MANNOOLIGOS
ACCHARIDE
PHOSPHORYLASE

(Ruminococcus
albus) 		PF04041
(Glyco_hydro_130) 		5 CYH A 293
GLY A 309
ARG A  73
PHE A  66
ASP A  69
 None
 1.16A 4kicA-5aydA:
undetectable		 4kicA-5aydA:
18.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c6m DEOXYRIBOSE-PHOSPHAT
E ALDOLASE

(Shewanella
halifaxensis) 		PF01791
(DeoC) 		5 GLY A 142
ILE A 183
ALA A 180
ALA A 148
ARG A 151
 None
 1.20A 4kicA-5c6mA:
undetectable		 4kicA-5c6mA:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dmu NHEJ POLYMERASE

(Methanocella
paludicola) 		no annotation 5 GLY A  80
GLY A  82
ILE A 132
ALA A 260
ALA A 130
 None
None
None
EDO  A 401 ( 4.4A)
None
 1.02A 4kicA-5dmuA:
undetectable		 4kicA-5dmuA:
23.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e9j MRNA CAP GUANINE-N7
METHYLTRANSFERASE,MR
NA CAP GUANINE-N7
METHYLTRANSFERASE

(Homo sapiens) 		PF03291
(Pox_MCEL) 		5 GLY A 205
GLY A 207
ILE A 228
ALA A 229
PHE A 285
 SAH  A 501 (-3.4A)
SAH  A 501 (-3.4A)
SAH  A 501 (-3.8A)
SAH  A 501 ( 4.2A)
None
 1.24A 4kicA-5e9jA:
14.2		 4kicA-5e9jA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ewq AMIDASE

(Bacillus
anthracis) 		PF01425
(Amidase) 		5 GLY A 250
ALA A 483
ALA A 286
ARG A 273
ASP A 284
 None
 1.17A 4kicA-5ewqA:
undetectable		 4kicA-5ewqA:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fse UREASE SUBUNIT ALPHA

(Sporosarcina
pasteurii) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 GLY C  55
GLY C  53
ALA C  42
MET C 106
ASP C  40
 None
 0.80A 4kicA-5fseC:
undetectable		 4kicA-5fseC:
20.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ftx SURFACE LAYER
PROTEIN

(Geobacillus
stearothermophilus) 		no annotation 5 GLY A 570
ILE A 689
ALA A 573
ALA A 682
ASP A 684
 None
 1.11A 4kicA-5ftxA:
undetectable		 4kicA-5ftxA:
18.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ijl DNA POLYMERASE II
LARGE SUBUNIT

(Pyrococcus
abyssi) 		PF03833
(PolC_DP2) 		5 GLY A  56
ARG A 104
ILE A  64
ALA A  61
ALA A  77
 None
 1.11A 4kicA-5ijlA:
undetectable		 4kicA-5ijlA:
15.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ip9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1

(Saccharomyces
cerevisiae) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 GLY A 869
GLY A 872
ALA A 875
ALA A1369
PHE A 866
 None
 1.15A 4kicA-5ip9A:
undetectable		 4kicA-5ip9A:
10.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jbe INACTIVE
GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF02324
(Glyco_hydro_70) 		5 GLY A1249
GLY A1231
ALA A1291
PHE A1228
MET A1269
 None
 1.20A 4kicA-5jbeA:
2.2		 4kicA-5jbeA:
17.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l75 FIG000906: PREDICTED
PERMEASE

(Klebsiella
pneumoniae) 		PF03739
(YjgP_YjgQ) 		5 GLY G  79
GLY G  75
ILE G 296
ALA G 292
ALA G  84
 None
 1.17A 4kicA-5l75G:
undetectable		 4kicA-5l75G:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lir SIGMA CROSS-REACTING
PROTEIN 27A
(SCRP-27A)

(Salmonella
enterica) 		PF01965
(DJ-1_PfpI) 		5 GLY A  13
GLY A  15
ARG A  64
ALA A  25
ALA A  43
 None
 1.12A 4kicA-5lirA:
3.7		 4kicA-5lirA:
24.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lpz PROTEIN
BRASSINOSTEROID
INSENSITIVE 1

(Arabidopsis
thaliana) 		PF00069
(Pkinase) 		5 GLY A1073
ALA A1136
ALA A1142
ARG A1141
ASP A1140
 None
 1.21A 4kicA-5lpzA:
undetectable		 4kicA-5lpzA:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mmj 30S RIBOSOMAL
PROTEIN S5,
CHLOROPLASTIC

(Spinacia
oleracea) 		no annotation 5 GLY e 190
GLY e 188
ARG e 209
ALA e 279
ARG e 175
 None
None
None
None
A  a1028 ( 3.7A)
 1.18A 4kicA-5mmje:
undetectable		 4kicA-5mmje:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
TUNGSTEN-CONTAINING
FORMYLMETHANOFURAN
DEHYDROGENASE 2
SUBUNIT C

(Methanothermobacter
sp. CaT2;
Methanothermobacter
wolfeii) 		PF00384
(Molybdopterin)
PF01493
(GXGXG) 		5 GLY C 247
GLY C 256
ILE C 251
ARG B 214
PHE C 245
 None
 0.87A 4kicA-5t5iC:
undetectable		 4kicA-5t5iC:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v0i TRYPTOPHAN--TRNA
LIGASE

(Escherichia
coli) 		PF00579
(tRNA-synt_1b) 		5 GLY A  19
GLY A  23
ILE A 249
ALA A 252
MET A 196
 AMP  A 401 (-3.6A)
AMP  A 401 (-3.5A)
None
None
None
 1.06A 4kicA-5v0iA:
undetectable		 4kicA-5v0iA:
23.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xi0 ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADH]

(Aliivibrio
fischeri) 		no annotation 5 GLY A  54
GLY A  48
ARG A  58
ALA A 140
PHE A  94
 None
 1.23A 4kicA-5xi0A:
5.0		 4kicA-5xi0A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y89 PUTATIVE HEMIN
TRANSPORT SYSTEM,
SUBSTRATE-BINDING
PROTEIN

(Burkholderia
cenocepacia) 		no annotation 5 GLY A 284
GLY A  47
ARG A 288
ALA A 205
PHE A 281
 HEM  A 401 ( 4.0A)
HEM  A 401 (-4.5A)
None
HEM  A 401 (-3.3A)
None
 1.12A 4kicA-5y89A:
2.9		 4kicA-5y89A:
25.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ykd D-HYDANTOINASE/DIHYD
ROPYRIMIDINASE

(Pseudomonas
aeruginosa) 		no annotation 5 GLY A  55
ALA A 373
ALA A 389
ARG A 386
MET A  52
 None
 1.04A 4kicA-5ykdA:
undetectable		 4kicA-5ykdA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ynl ARGINASE

(Glaciozyma
antarctica) 		no annotation 5 GLY A 220
GLY A 218
ILE A 271
ALA A 274
MET A 225
 None
 1.15A 4kicA-5ynlA:
undetectable		 4kicA-5ynlA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fik POLYKETIDE SYNTHASE

(Cercospora
nicotianae) 		no annotation 5 CYH A 553
GLY A 805
ILE A 656
ALA A 653
PHE A 801
 None
 1.08A 4kicA-6fikA:
undetectable		 4kicA-6fikA:
undetectable